2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide

C9H12N2O2S — CID 60656426

IUPAC2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H12N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12)
InChIKeyACZXNCGWNQECLT-UHFFFAOYSA-N
MW212.27 g/mol
LogP0.52
Rot. Bonds4

About 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide

2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide (PubChem CID 60656426) has the molecular formula C9H12N2O2S and a molecular weight of 212.27 g/mol. Its IUPAC name is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide
PubChem CID60656426
Molecular FormulaC9H12N2O2S
Molecular Weight212.27 g/mol
Exact Mass212.06
IUPAC Name2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1c(C)csc1=O
InChIInChI=1S/C9H12N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12)
InChIKeyACZXNCGWNQECLT-UHFFFAOYSA-N
XLogP0.52
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.27
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide (CID 60656426) is 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1c(C)csc1=O.
What is the InChIKey of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide?
The InChIKey is ACZXNCGWNQECLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2S/c1-3-4-10-8(12)5-11-7(2)6-14-9(11)13/h3,6H,1,4-5H2,2H3,(H,10,12).
What are the key properties of 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide?
2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide has a molecular weight of 212.27 g/mol, XLogP of 0.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-2-oxo-1,3-thiazol-3-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 60656426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).